8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one

C16H18N2O2 — CID 166974019

IUPAC8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one
SMILESCC(C)(C)Cc1ccc2nc3c(cc2c1)OCC(=O)N3
InChIInChI=1S/C16H18N2O2/c1-16(2,3)8-10-4-5-12-11(6-10)7-13-15(17-12)18-14(19)9-20-13/h4-7H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyRTKQUQDQWLNQBN-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.15
Rot. Bonds1

About 8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one

8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one (PubChem CID 166974019) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one.

Molecular Properties

Compound Name8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one
PubChem CID166974019
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one
SMILESCC(C)(C)Cc1ccc2nc3c(cc2c1)OCC(=O)N3
InChIInChI=1S/C16H18N2O2/c1-16(2,3)8-10-4-5-12-11(6-10)7-13-15(17-12)18-14(19)9-20-13/h4-7H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyRTKQUQDQWLNQBN-UHFFFAOYSA-N
XLogP3.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
The IUPAC name of 8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one (CID 166974019) is 8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one.
What is the SMILES notation for 8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
The canonical SMILES for 8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one is CC(C)(C)Cc1ccc2nc3c(cc2c1)OCC(=O)N3.
What is the InChIKey of 8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
The InChIKey is RTKQUQDQWLNQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)8-10-4-5-12-11(6-10)7-13-15(17-12)18-14(19)9-20-13/h4-7H,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one has a molecular weight of 270.33 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one is sourced from PubChem (CID 166974019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).